N-benzyl-2-bromobenzamide

C14H12BrNO — CID 687458

IUPACN-benzyl-2-bromobenzamide
SMILESO=C(NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyPUIYIJWJYXUFGR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.38
Rot. Bonds3

About N-benzyl-2-bromobenzamide

N-benzyl-2-bromobenzamide (PubChem CID 687458) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is N-benzyl-2-bromobenzamide.

Molecular Properties

Compound NameN-benzyl-2-bromobenzamide
PubChem CID687458
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC NameN-benzyl-2-bromobenzamide
SMILESO=C(NCc1ccccc1)c1ccccc1Br
InChIInChI=1S/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKeyPUIYIJWJYXUFGR-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-2-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromobenzamide?
The IUPAC name of N-benzyl-2-bromobenzamide (CID 687458) is N-benzyl-2-bromobenzamide.
What is the SMILES notation for N-benzyl-2-bromobenzamide?
The canonical SMILES for N-benzyl-2-bromobenzamide is O=C(NCc1ccccc1)c1ccccc1Br.
What is the InChIKey of N-benzyl-2-bromobenzamide?
The InChIKey is PUIYIJWJYXUFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-9-5-4-8-12(13)14(17)16-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17).
What are the key properties of N-benzyl-2-bromobenzamide?
N-benzyl-2-bromobenzamide has a molecular weight of 290.16 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromobenzamide is sourced from PubChem (CID 687458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).